1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde

C7H10F3NO3S — CID 63844323

IUPAC1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h5-6H,1-4H2
InChIKeySYZCPJQQMSLAOL-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.89
Rot. Bonds2

About 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde

1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde (PubChem CID 63844323) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde
PubChem CID63844323
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC Name1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h5-6H,1-4H2
InChIKeySYZCPJQQMSLAOL-UHFFFAOYSA-N
XLogP0.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde (CID 63844323) is 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde is O=CC1CCCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde?
The InChIKey is SYZCPJQQMSLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h5-6H,1-4H2.
What are the key properties of 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde?
1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde has a molecular weight of 245.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 63844323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).